8-ethyl-2-[4-[(2-methylphenyl)carbonylcarbamothioyl]piperazin-1-yl]-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 8-ethyl-2-[4-[(2-methylphenyl)carbonylcarbamothioyl]piperazin-1-yl]-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 8-ethyl-2-[4-[(2-methylbenzoyl)carbamothioyl]piperazin-1-yl]-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 8-ethyl-2-[4-[[[(2-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 8-ethyl-2-[4-[(2-methylbenzoyl)carbamothioyl]piperazin-1-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 8-ethyl-5-keto-2-[4-(o-toluoylthiocarbamoyl)piperazino]pyrido[2,3-d]pyrimidine-6-carboxylic acid Formula: C23H24N6O4S MolecularWeight: 480.53946

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC=CC=C4C)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC=CC=C4C)C(=O)O

InChI

InChI=1S/C23H24N6O4S/c1-3-27-13-17(21(32)33)18(30)16-12-24-22(25-19(16)27)28-8-10-29(11-9-28)23(34)26-20(31)15-7-5-4-6-14(15)2/h4-7,12-13H,3,8-11H2,1-2H3,(H,32,33)(H,26,31,34)